# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 98.43 7.10 11.78 20.22 116.64 -148.34 -93.86 140.99 99.63 0.27 0.10 99.42 0.21 0.11 0.05 0.01 0.00 0.14 0.06 1 A C C 69.64 4.07 10.01 15.72 111.86 -111.69 -72.04 142.22 84.02 4.00 11.99 78.11 1.48 5.59 7.24 3.30 0.00 2.05 2.22 2 Q C C 138.54 1.94 8.40 11.83 107.86 -117.93 -77.14 122.69 74.91 4.26 20.83 33.63 13.51 28.75 12.10 7.69 0.05 2.20 2.07 3 G C T 54.89 2.04 9.30 12.41 103.94 28.40 39.50 -13.47 72.31 2.22 25.46 25.25 18.68 29.52 14.56 9.66 0.06 1.01 1.26 4 Q C C 119.58 2.62 8.69 12.81 105.67 71.90 -82.32 75.77 58.88 2.54 38.58 31.06 15.75 13.34 25.94 11.42 0.06 1.21 1.21 5 R C C 158.94 2.44 9.18 12.93 101.23 60.39 -78.17 -10.44 53.69 4.05 42.26 30.06 11.27 13.83 28.51 12.38 0.09 2.21 1.64 6 K C H 137.32 2.67 9.63 13.68 99.49 61.76 -77.83 -18.87 50.96 3.47 45.58 28.98 10.72 12.54 30.91 13.49 0.07 2.00 1.30 7 F C H 131.25 3.89 9.03 14.46 103.96 52.87 -85.51 16.27 51.88 3.50 44.63 30.12 10.78 12.34 31.08 12.31 0.06 1.97 1.34 8 Q C C 125.32 2.74 10.50 14.66 105.04 77.97 -83.62 34.47 57.50 3.55 38.95 35.64 10.97 11.74 28.60 9.57 0.05 1.95 1.48 9 A C C 76.06 3.63 9.04 14.32 106.94 69.73 -84.19 75.66 68.66 2.65 28.69 40.58 15.48 12.92 21.65 6.77 0.02 1.32 1.25 10 H C C 138.38 2.85 9.84 14.31 112.32 74.10 -92.35 124.66 78.59 2.90 18.51 50.78 18.67 9.05 14.22 4.28 0.01 1.33 1.65 11 K C C 141.92 2.86 9.90 14.67 115.45 -121.60 -86.43 136.45 90.07 1.15 8.77 69.89 17.72 2.02 8.20 1.00 0.00 0.45 0.71 12 P C C 87.08 4.72 9.14 15.74 112.33 -106.21 -67.67 147.44 78.81 1.15 20.04 67.11 4.68 6.88 16.31 3.81 0.00 0.57 0.64 13 A C C 77.94 3.11 9.57 14.25 110.46 -106.78 -75.61 146.19 64.52 1.77 33.71 44.00 9.83 10.70 26.47 7.20 0.00 0.82 0.98 14 K C H 153.19 2.00 10.10 13.28 104.82 -113.80 -78.42 47.20 53.13 1.88 44.98 32.95 11.39 9.93 35.92 8.04 0.02 0.91 0.84 15 S H H 71.43 3.59 9.77 14.87 106.48 59.75 -84.66 87.47 45.98 1.48 52.54 33.01 7.16 6.82 45.63 6.03 0.01 0.78 0.56 16 K H H 137.75 2.88 10.90 15.09 99.27 -126.34 -74.65 -27.02 30.67 0.97 68.37 20.60 6.17 5.63 62.38 4.38 0.01 0.51 0.33 17 T H H 84.19 3.02 12.21 16.30 98.49 60.04 -70.99 -35.72 20.53 0.75 78.72 13.56 3.97 4.74 73.16 3.91 0.01 0.43 0.22 18 A H H 62.17 3.37 12.32 16.94 95.76 52.67 -68.23 -38.13 14.73 0.58 84.69 8.88 2.76 4.57 78.89 4.34 0.01 0.37 0.16 19 A H H 58.71 3.48 12.38 17.21 94.91 52.84 -68.00 -38.06 14.57 0.59 84.83 8.16 2.73 5.12 78.85 4.56 0.02 0.39 0.17 20 A H H 59.55 3.28 12.32 16.86 95.05 53.61 -68.02 -36.90 17.32 0.61 82.07 9.07 3.31 6.43 76.31 4.28 0.03 0.36 0.21 21 A H H 65.58 3.13 11.82 16.22 95.71 54.90 -70.08 -32.88 25.54 0.71 73.75 13.06 5.11 9.00 68.06 4.09 0.03 0.37 0.28 22 S H H 71.77 2.95 11.22 15.40 97.36 57.22 -73.81 -26.23 38.52 0.97 60.51 21.47 6.70 11.92 54.79 4.22 0.02 0.47 0.42 23 E H H 127.57 2.86 10.64 14.89 100.07 63.53 -78.71 -18.29 48.22 1.40 50.39 28.10 8.76 12.89 44.26 4.68 0.03 0.65 0.64 24 K C C 143.74 2.42 10.43 14.19 101.81 72.15 -82.20 -1.42 61.43 1.65 36.92 34.39 11.36 16.21 31.55 4.91 0.02 0.74 0.81 25 N C C 108.66 3.42 9.08 14.27 104.55 73.85 -86.92 65.12 77.80 1.78 20.42 48.66 11.33 17.25 16.60 4.34 0.00 0.85 0.97 26 R C C 166.69 2.23 9.50 13.15 106.34 116.82 -91.38 30.20 86.91 2.68 10.41 51.54 24.68 10.54 7.59 2.83 0.00 1.10 1.73 27 G C C 43.37 3.35 9.97 14.88 123.61 -126.63 108.89 175.82 95.83 1.96 2.21 55.08 36.82 4.11 1.09 1.04 0.00 0.90 0.96 28 P C C 109.33 2.00 9.77 13.00 107.86 -52.10 -71.64 136.73 87.10 2.75 10.15 57.68 14.67 14.70 3.24 6.88 0.00 1.61 1.22 29 R C C 165.85 2.38 7.93 12.11 109.87 -132.49 -85.76 121.24 80.76 7.78 11.46 54.01 13.76 12.46 4.04 7.56 0.01 4.17 4.00 30 K C C 162.35 1.34 8.75 11.27 110.56 -112.91 -81.99 125.63 79.38 6.23 14.38 33.46 17.15 30.05 3.73 9.67 0.02 3.43 2.49 31 G C T 59.49 1.56 9.34 11.94 107.56 12.76 72.13 -1.02 84.37 2.99 12.64 24.73 21.89 38.50 2.70 9.35 0.01 1.68 1.15 32 G C C 54.34 2.56 9.06 13.17 109.92 -2.05 -89.92 95.22 80.90 6.50 12.61 43.45 22.04 15.93 3.38 9.05 0.01 3.98 2.16 33 R C C 167.78 2.28 9.13 13.04 111.84 -78.54 -89.52 127.62 73.22 17.09 9.70 53.82 12.79 5.83 5.26 4.88 0.02 12.24 5.16 34 V C C 111.83 2.59 9.15 13.55 114.46 -145.16 -93.86 128.06 72.41 21.17 6.43 57.54 10.36 3.02 4.95 2.19 0.01 15.48 6.44 35 I C C 115.89 3.38 8.50 13.79 115.15 -150.15 -98.32 130.17 76.73 15.62 7.65 62.04 10.98 2.55 6.77 1.81 0.01 10.58 5.27 36 A C C 71.03 3.19 9.63 14.45 115.36 -118.69 -77.76 147.80 83.58 3.53 12.89 68.63 10.68 3.43 12.00 1.98 0.00 2.30 0.98 37 P C C 89.96 3.36 9.58 14.62 110.93 -99.14 -68.60 144.62 73.62 2.11 24.27 58.95 6.23 7.58 21.06 4.18 0.00 1.23 0.77 38 K C C 147.59 2.14 10.18 13.68 103.55 -126.85 -77.82 -19.40 55.33 2.38 42.30 38.42 9.11 8.59 36.57 5.11 0.01 1.21 0.97 39 K H H 139.98 2.03 10.97 13.93 101.13 54.11 -76.30 -16.74 37.40 1.38 61.22 24.29 7.65 7.32 55.48 4.08 0.02 0.68 0.49 40 A H H 64.69 3.25 10.99 15.55 97.09 55.90 -68.86 -37.30 19.87 0.48 79.65 12.97 3.40 4.57 76.26 2.39 0.01 0.24 0.15 41 R H H 148.97 1.88 13.06 15.24 95.11 55.26 -68.03 -38.26 9.90 0.38 89.73 6.34 1.63 2.81 87.28 1.61 0.01 0.21 0.10 42 V H H 79.83 2.68 13.35 16.75 93.50 51.59 -66.57 -41.57 4.68 0.22 95.10 2.86 0.72 1.53 93.80 0.92 0.00 0.13 0.04 43 V H H 74.97 2.84 13.77 17.40 92.69 50.34 -65.09 -41.76 2.33 0.10 97.57 1.32 0.31 0.83 96.92 0.53 0.00 0.06 0.02 44 Q H H 99.69 2.10 14.90 17.08 92.29 50.70 -64.78 -41.16 1.37 0.05 98.58 0.62 0.16 0.57 98.27 0.34 0.00 0.03 0.01 45 Q H H 97.00 2.15 15.01 17.27 92.07 50.51 -64.66 -40.51 1.12 0.03 98.86 0.40 0.12 0.53 98.66 0.26 0.00 0.01 0.00 46 Q H H 95.73 2.58 14.87 17.86 92.09 50.47 -64.99 -40.18 0.96 0.01 99.03 0.30 0.09 0.48 98.93 0.18 0.00 0.00 0.00 47 K H H 115.54 2.20 15.29 17.53 92.09 50.65 -64.73 -40.72 0.84 0.01 99.15 0.23 0.07 0.44 99.12 0.14 0.00 0.00 0.00 48 L H H 91.86 1.93 14.97 16.77 91.95 50.07 -64.45 -41.02 0.73 0.00 99.27 0.17 0.06 0.40 99.25 0.12 0.00 0.00 0.00 49 K H H 119.24 2.02 15.23 17.23 91.95 50.54 -65.17 -40.67 0.72 0.00 99.27 0.15 0.06 0.41 99.28 0.10 0.00 0.00 0.00 50 K H H 117.70 2.32 15.26 17.77 92.14 50.45 -64.99 -40.42 0.58 0.00 99.41 0.10 0.04 0.35 99.43 0.08 0.00 0.00 0.00 51 N H H 95.88 1.90 15.84 17.42 92.07 49.70 -64.89 -40.39 0.57 0.00 99.43 0.09 0.04 0.36 99.43 0.08 0.00 0.00 0.00 52 L H H 95.36 2.00 15.79 17.46 92.26 49.46 -65.34 -40.94 0.45 0.00 99.55 0.07 0.03 0.27 99.57 0.07 0.00 0.00 0.00 53 E H H 99.57 2.76 15.81 18.87 92.15 50.54 -64.81 -41.35 0.37 0.00 99.63 0.05 0.02 0.22 99.65 0.05 0.00 0.00 0.00 54 V H H 72.62 2.76 15.96 19.08 91.97 50.13 -64.16 -42.03 0.24 0.00 99.76 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 55 G H H 34.28 2.39 16.06 18.64 91.65 50.78 -63.72 -41.31 0.27 0.00 99.73 0.03 0.01 0.16 99.76 0.03 0.00 0.00 0.00 56 I H H 90.38 2.60 15.90 18.64 92.11 49.37 -64.80 -41.75 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.02 0.00 0.00 0.00 57 R H H 130.29 2.84 15.83 19.04 91.96 50.36 -64.33 -41.01 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.02 0.00 0.00 0.00 58 K H H 119.81 2.04 16.36 18.20 92.10 49.90 -65.17 -40.37 0.41 0.00 99.59 0.03 0.02 0.28 99.64 0.03 0.00 0.00 0.00 59 K H H 117.27 1.98 16.56 18.10 92.09 50.04 -65.36 -41.14 0.53 0.00 99.47 0.05 0.03 0.36 99.52 0.03 0.00 0.00 0.00 60 I H H 86.33 3.21 15.84 19.44 92.20 49.33 -64.96 -42.05 0.53 0.00 99.47 0.09 0.04 0.32 99.51 0.05 0.00 0.00 0.00 61 E H H 96.56 3.41 15.67 19.85 92.17 50.41 -64.67 -41.15 0.38 0.00 99.62 0.05 0.02 0.23 99.64 0.06 0.00 0.00 0.00 62 H H H 113.90 1.97 16.59 18.16 92.03 50.14 -65.13 -40.90 0.44 0.00 99.56 0.06 0.03 0.28 99.58 0.07 0.00 0.00 0.00 63 D H H 78.98 2.43 16.33 18.67 92.35 50.14 -65.12 -40.74 0.64 0.00 99.36 0.10 0.04 0.39 99.39 0.08 0.00 0.00 0.00 64 V H H 74.01 3.64 14.84 19.31 92.48 49.59 -64.87 -41.49 0.87 0.01 99.12 0.18 0.07 0.50 99.09 0.15 0.00 0.00 0.00 65 V H H 79.15 2.91 14.85 18.41 92.27 50.38 -64.55 -41.11 1.16 0.01 98.83 0.26 0.11 0.65 98.72 0.25 0.00 0.00 0.00 66 M H H 109.99 1.70 15.50 16.70 92.36 50.26 -65.15 -40.15 2.45 0.03 97.52 0.49 0.25 1.56 97.11 0.58 0.00 0.01 0.01 67 K H H 122.72 2.14 14.34 16.64 93.29 49.67 -66.70 -38.31 5.51 0.07 94.42 0.97 0.61 3.80 93.58 0.97 0.02 0.03 0.03 68 A H H 59.19 4.26 11.52 17.21 94.08 52.66 -69.41 -34.14 13.10 0.16 86.74 2.64 1.70 8.73 85.13 1.61 0.04 0.07 0.07 69 S H H 78.83 2.21 11.59 14.74 97.82 54.89 -78.22 -17.13 36.71 0.59 62.71 8.67 5.00 23.99 58.67 3.00 0.08 0.25 0.34 70 S C T 85.15 1.65 10.89 13.19 101.36 64.63 -82.87 -2.89 63.21 0.74 36.05 10.70 12.08 40.23 32.22 3.93 0.07 0.30 0.48 71 S C T 89.35 1.51 10.31 12.64 105.56 47.92 -95.68 34.07 77.26 0.92 21.81 21.73 21.94 33.94 17.57 3.84 0.02 0.36 0.59 72 L C C 102.69 3.88 7.82 13.67 116.62 124.41 -86.44 141.34 93.79 1.08 5.13 47.64 41.59 4.45 3.89 1.30 0.00 0.35 0.77 73 P C C 93.56 2.58 9.63 13.71 111.46 -101.94 -66.78 147.92 85.54 0.95 13.51 69.95 7.79 7.65 9.01 4.53 0.00 0.45 0.62 74 K H G 154.90 1.85 9.14 12.40 107.37 -108.57 -74.22 122.54 47.74 1.61 50.65 24.11 9.44 14.30 25.04 25.52 0.02 0.85 0.72 75 K H H 154.24 1.51 9.62 12.06 106.49 -24.43 -77.54 108.52 40.16 1.79 58.05 16.92 7.55 14.95 30.10 28.77 0.05 1.03 0.63 76 L H H 106.08 3.91 8.40 13.89 105.75 -132.17 -82.86 83.61 33.46 2.75 63.79 17.98 5.97 9.42 33.34 30.79 0.04 1.74 0.73 77 A H H 71.42 3.25 9.08 14.00 101.24 106.02 -77.25 -17.47 37.59 5.32 57.09 20.90 7.59 9.55 36.51 20.49 0.10 3.47 1.40 78 L H H 127.64 1.72 9.10 11.93 100.14 58.66 -81.45 -12.03 38.42 9.78 51.80 19.88 8.39 11.36 33.15 17.94 0.27 6.76 2.24 79 L C H 123.87 2.19 8.23 12.02 104.39 64.75 -85.95 20.39 46.42 11.36 42.22 26.34 10.54 11.21 29.22 11.90 0.26 7.54 2.99 80 K C C 152.58 1.95 9.07 12.46 112.53 72.11 -90.31 126.40 63.65 8.08 28.27 37.22 16.31 10.94 21.75 6.11 0.11 4.63 2.93 81 A C C 73.15 3.12 8.37 13.33 117.42 -120.79 -84.95 146.18 85.57 2.20 12.23 58.18 23.98 3.16 11.06 1.65 0.00 1.02 0.94 82 P C C 97.75 2.79 9.01 13.55 112.42 -104.70 -66.76 147.66 76.53 2.01 21.45 64.55 5.62 6.40 16.56 4.81 0.00 1.13 0.93 83 A C C 84.89 2.21 8.55 12.38 109.43 -110.56 -77.78 134.60 70.09 3.19 26.72 53.29 8.90 7.77 19.55 7.21 0.01 1.73 1.55 84 K C C 151.38 2.02 8.81 12.33 110.35 -114.96 -86.51 127.84 66.72 4.22 29.06 47.44 10.87 8.32 21.29 7.82 0.01 2.32 1.92 85 K C C 145.51 2.55 8.36 12.67 110.26 -130.10 -87.69 127.38 68.39 3.02 28.59 48.78 11.00 8.54 21.97 6.67 0.00 1.62 1.42 86 K C C 154.63 1.83 9.34 12.56 109.12 -140.32 -84.53 126.16 64.75 2.22 33.02 37.92 13.05 14.63 25.23 6.99 0.02 1.08 1.09 87 G C C 53.21 2.52 10.04 13.80 107.32 14.92 13.25 -10.44 65.51 1.79 32.70 34.73 14.57 17.33 22.88 8.69 0.02 0.82 0.96 88 A C C 78.20 2.87 9.43 13.67 105.03 -1.87 -78.61 33.34 61.19 2.44 36.36 37.51 12.54 11.86 25.16 10.45 0.02 1.19 1.27 89 A C C 79.09 2.69 9.32 13.39 105.52 53.41 -81.82 64.46 62.71 3.24 34.05 41.32 11.27 10.42 24.15 9.54 0.02 1.66 1.61 90 A C C 79.13 2.76 9.17 13.42 107.90 -119.43 -80.59 109.04 66.02 3.58 30.40 43.90 11.66 10.63 21.82 8.34 0.01 1.85 1.78 91 A C C 83.66 2.47 8.43 12.47 108.12 -130.10 -84.21 114.92 72.30 3.57 24.13 46.93 14.68 10.78 16.41 7.55 0.01 1.82 1.81 92 T C C 105.44 1.93 8.44 11.86 111.12 -141.07 -92.16 114.34 76.76 3.51 19.73 51.93 13.27 11.44 12.06 7.65 0.01 1.85 1.80 93 S C C 86.79 2.01 7.93 11.57 111.79 -139.75 -87.70 129.52 81.94 3.04 15.02 48.01 17.25 16.79 7.54 7.32 0.00 1.58 1.50 94 S C C 93.41 1.37 8.39 10.95 106.76 -128.56 -89.76 82.66 87.86 2.91 9.23 48.71 22.00 17.33 3.62 5.47 0.00 1.53 1.33 95 K C C 150.05 2.12 7.45 11.45 113.34 110.02 -90.61 128.03 90.87 4.45 4.69 55.91 25.83 9.23 1.41 3.11 0.00 2.23 2.29 96 T C C 103.62 2.04 7.61 11.56 116.99 -142.32 -95.10 135.99 95.95 3.60 0.45 67.99 27.07 1.09 0.16 0.26 0.00 1.78 1.63 97 P C C 107.92 2.17 8.06 12.05 111.66 -107.20 -68.95 146.61 98.10 1.48 0.43 94.59 1.83 1.89 0.13 0.19 0.00 0.84 0.54 98 S C C 91.21 1.87 9.92 13.20 108.22 -111.84 -81.30 125.71 99.76 0.18 0.06 99.19 0.37 0.26 0.02 0.01 0.00 0.10 0.04